2-[4-[2-carbamothioyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]-2-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-carbamothioyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-carbamothioyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]-2-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[2-carbamothioyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[2-carbamothioyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[5-(4-chlorophenyl)-1-thiocarbamoyl-2-pyrazolin-3-yl]-2-methoxy-phenoxy]acetic acid Formula: C19H18ClN3O4S MolecularWeight: 419.88192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C(=S)N)OCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C(=S)N)OCC(=O)O

InChI

InChI=1S/C19H18ClN3O4S/c1-26-17-8-12(4-7-16(17)27-10-18(24)25)14-9-15(23(22-14)19(21)28)11-2-5-13(20)6-3-11/h2-8,15H,9-10H2,1H3,(H2,21,28)(H,24,25)